Showing NP-Card for Trierixin (NP0007344)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 04:10:15 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:57:20 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0007344 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Trierixin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Trierixin is found in Streptomyces sp. It was first documented in 2007 (PMID: 17917242). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0007344 (Trierixin)Mrv1652307012119513D 100102 0 0 0 0 999 V2000 -5.7491 3.3055 -4.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5313 3.3455 -2.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3201 2.0627 -2.3519 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0017 2.1297 -1.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 1.1113 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7598 0.4828 -2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 1.0593 -3.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 1.7569 -3.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 1.3270 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.1200 -2.5148 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2594 -0.5811 -1.4984 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1199 0.4878 -1.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 0.2873 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9756 -0.8118 -1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 1.4605 -0.7623 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0471 2.5132 -1.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 1.1121 -0.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 1.3482 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 1.8779 1.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9349 1.0130 0.5438 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4568 1.3977 1.9104 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9274 0.4534 2.9545 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6771 -0.8626 2.8166 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1476 -1.0210 1.3885 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0839 -0.5076 0.4335 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4374 -0.9661 -0.2554 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1498 -0.4942 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -2.4363 -0.2196 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1083 -2.7307 -0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -3.1448 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8962 -3.3424 1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 -3.6461 1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -3.3672 1.7170 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2663 -1.9608 2.0909 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6931 -1.5427 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 -1.1988 3.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4711 -0.6974 3.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -0.3804 4.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -0.5332 2.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9085 0.0741 2.5364 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7895 1.8834 2.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 -0.8497 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -1.3788 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 -1.7208 -0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7871 -0.4501 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7588 0.3638 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 -0.1532 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 1.7780 -1.2610 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6552 2.6858 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 4.3497 -4.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8795 3.0303 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 1.2995 -3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 3.0290 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 0.6983 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0283 -0.5757 -3.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 0.9741 -4.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 2.7055 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 1.9889 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 -0.5440 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -0.5178 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -1.4979 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 1.8717 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 3.2768 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 2.9307 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 1.9639 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 0.6719 -1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 1.5080 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5592 1.3058 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2258 2.4626 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 0.2742 2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1239 0.8896 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 -1.6854 3.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4868 -0.9054 3.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1054 -0.5433 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2652 -2.1075 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 -0.7763 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -0.9478 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -0.4355 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 0.4956 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -1.1754 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 -0.4506 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 -2.8542 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0925 -2.8600 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 -3.1553 2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -2.8135 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -4.4434 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 -4.3432 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -4.0158 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -3.6257 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 -1.9643 3.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -1.1802 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -1.3319 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -0.0137 4.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6651 2.3726 2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6325 2.1799 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8777 2.2228 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 -1.9398 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7907 -0.8102 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 2.1772 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2241 2.4163 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 11 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 42 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 3 1 0 0 0 0 25 20 1 0 0 0 0 43 35 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 3 52 1 6 0 0 0 4 53 1 0 0 0 0 5 54 1 0 0 0 0 6 55 1 0 0 0 0 7 56 1 0 0 0 0 8 57 1 0 0 0 0 9 58 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 61 1 6 0 0 0 15 62 1 1 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 17 66 1 0 0 0 0 20 67 1 6 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 6 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 28 82 1 6 0 0 0 29 83 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 32 87 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 36 92 1 0 0 0 0 38 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 44 97 1 0 0 0 0 45 98 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 M END 3D MOL for NP0007344 (Trierixin)RDKit 3D 100102 0 0 0 0 0 0 0 0999 V2000 -5.7491 3.3055 -4.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5313 3.3455 -2.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3201 2.0627 -2.3519 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0017 2.1297 -1.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 1.1113 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7598 0.4828 -2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 1.0593 -3.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 1.7569 -3.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 1.3270 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.1200 -2.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 -0.5811 -1.4984 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1199 0.4878 -1.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 0.2873 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9756 -0.8118 -1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 1.4605 -0.7623 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0471 2.5132 -1.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 1.1121 -0.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 1.3482 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 1.8779 1.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9349 1.0130 0.5438 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4568 1.3977 1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 0.4534 2.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6771 -0.8626 2.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1476 -1.0210 1.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0839 -0.5076 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 -0.9661 -0.2554 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1498 -0.4942 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -2.4363 -0.2196 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1083 -2.7307 -0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -3.1448 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8962 -3.3424 1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 -3.6461 1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -3.3672 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 -1.9608 2.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -1.5427 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 -1.1988 3.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4711 -0.6974 3.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -0.3804 4.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -0.5332 2.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9085 0.0741 2.5364 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7895 1.8834 2.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 -0.8497 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -1.3788 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 -1.7208 -0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7871 -0.4501 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7588 0.3638 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 -0.1532 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 1.7780 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6552 2.6858 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 4.3497 -4.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8795 3.0303 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 1.2995 -3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 3.0290 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 0.6983 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0283 -0.5757 -3.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 0.9741 -4.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 2.7055 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 1.9889 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 -0.5440 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -0.5178 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -1.4979 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 1.8717 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 3.2768 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 2.9307 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 1.9639 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 0.6719 -1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 1.5080 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5592 1.3058 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2258 2.4626 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 0.2742 2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1239 0.8896 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 -1.6854 3.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4868 -0.9054 3.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1054 -0.5433 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2652 -2.1075 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 -0.7763 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -0.9478 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -0.4355 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 0.4956 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -1.1754 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 -0.4506 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 -2.8542 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0925 -2.8600 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 -3.1553 2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -2.8135 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -4.4434 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 -4.3432 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -4.0158 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -3.6257 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 -1.9643 3.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -1.1802 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -1.3319 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -0.0137 4.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6651 2.3726 2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6325 2.1799 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8777 2.2228 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 -1.9398 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7907 -0.8102 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 2.1772 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2241 2.4163 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 11 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 1 0 39 42 1 0 42 43 2 0 43 44 1 0 42 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 3 1 0 25 20 1 0 43 35 1 0 1 49 1 0 1 50 1 0 1 51 1 0 3 52 1 6 4 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 10 60 1 0 11 61 1 6 15 62 1 1 16 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 20 67 1 6 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 26 78 1 6 27 79 1 0 27 80 1 0 27 81 1 0 28 82 1 6 29 83 1 0 31 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 36 92 1 0 38 93 1 0 41 94 1 0 41 95 1 0 41 96 1 0 44 97 1 0 45 98 1 0 48 99 1 0 48100 1 0 M END 3D SDF for NP0007344 (Trierixin)Mrv1652307012119513D 100102 0 0 0 0 999 V2000 -5.7491 3.3055 -4.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5313 3.3455 -2.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3201 2.0627 -2.3519 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0017 2.1297 -1.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 1.1113 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7598 0.4828 -2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 1.0593 -3.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 1.7569 -3.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 1.3270 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.1200 -2.5148 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2594 -0.5811 -1.4984 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1199 0.4878 -1.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 0.2873 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9756 -0.8118 -1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 1.4605 -0.7623 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0471 2.5132 -1.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 1.1121 -0.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 1.3482 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 1.8779 1.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9349 1.0130 0.5438 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4568 1.3977 1.9104 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9274 0.4534 2.9545 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6771 -0.8626 2.8166 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1476 -1.0210 1.3885 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0839 -0.5076 0.4335 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4374 -0.9661 -0.2554 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1498 -0.4942 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -2.4363 -0.2196 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1083 -2.7307 -0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -3.1448 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8962 -3.3424 1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 -3.6461 1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -3.3672 1.7170 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2663 -1.9608 2.0909 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6931 -1.5427 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 -1.1988 3.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4711 -0.6974 3.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -0.3804 4.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -0.5332 2.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9085 0.0741 2.5364 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7895 1.8834 2.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 -0.8497 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -1.3788 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 -1.7208 -0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7871 -0.4501 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7588 0.3638 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 -0.1532 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 1.7780 -1.2610 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6552 2.6858 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 4.3497 -4.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8795 3.0303 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 1.2995 -3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 3.0290 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 0.6983 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0283 -0.5757 -3.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 0.9741 -4.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 2.7055 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 1.9889 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 -0.5440 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -0.5178 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -1.4979 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 1.8717 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 3.2768 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 2.9307 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 1.9639 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 0.6719 -1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 1.5080 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5592 1.3058 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2258 2.4626 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 0.2742 2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1239 0.8896 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 -1.6854 3.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4868 -0.9054 3.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1054 -0.5433 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2652 -2.1075 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 -0.7763 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -0.9478 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -0.4355 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 0.4956 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -1.1754 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 -0.4506 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 -2.8542 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0925 -2.8600 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 -3.1553 2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -2.8135 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -4.4434 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 -4.3432 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -4.0158 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -3.6257 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 -1.9643 3.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -1.1802 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -1.3319 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -0.0137 4.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6651 2.3726 2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6325 2.1799 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8777 2.2228 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 -1.9398 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7907 -0.8102 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 2.1772 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2241 2.4163 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 11 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 42 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 3 1 0 0 0 0 25 20 1 0 0 0 0 43 35 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 3 52 1 6 0 0 0 4 53 1 0 0 0 0 5 54 1 0 0 0 0 6 55 1 0 0 0 0 7 56 1 0 0 0 0 8 57 1 0 0 0 0 9 58 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 61 1 6 0 0 0 15 62 1 1 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 17 66 1 0 0 0 0 20 67 1 6 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 6 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 28 82 1 6 0 0 0 29 83 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 32 87 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 36 92 1 0 0 0 0 38 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 44 97 1 0 0 0 0 45 98 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 M END > <DATABASE_ID> NP0007344 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C(SC([H])([H])[H])C2=C(O[H])C(=C1[H])C([H])([H])C([H])([H])\C([H])=C(C([H])([H])[H])/[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@]([H])(OC([H])([H])[H])C([H])([H])C(=O)N2[H] > <INCHI_IDENTIFIER> InChI=1S/C37H52N2O8S/c1-23-15-14-18-27-21-29(40)35(48-5)32(34(27)43)39-31(41)22-28(46-4)19-12-7-6-8-13-20-30(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,19,21,24-26,28,30,33,40,42-43H,9-11,14,16-18,20,22H2,1-5H3,(H,38,44)(H,39,41)/b7-6-,13-8-,19-12-,23-15-/t24-,25-,28-,30+,33+/m0/s1 > <INCHI_KEY> JYAJEGBJMODZBK-SOVAFGQYSA-N > <FORMULA> C37H52N2O8S > <MOLECULAR_WEIGHT> 684.89 > <EXACT_MASS> 684.344437816 > <JCHEM_ACCEPTOR_COUNT> 7 > <JCHEM_ATOM_COUNT> 100 > <JCHEM_AVERAGE_POLARIZABILITY> 75.71608445805934 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 5 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (5R,6Z,8Z,10Z,13R,14R,15S,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-23-(methylsulfanyl)-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl (2S)-2-(cyclohexylformamido)propanoate > <ALOGPS_LOGP> 5.26 > <JCHEM_LOGP> 5.932672788666668 > <ALOGPS_LOGS> -5.37 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 11.083160095139498 > <JCHEM_PKA_STRONGEST_ACIDIC> 9.329807490273183 > <JCHEM_PKA_STRONGEST_BASIC> -1.0456789530849906 > <JCHEM_POLAR_SURFACE_AREA> 154.42 > <JCHEM_REFRACTIVITY> 195.39060000000006 > <JCHEM_ROTATABLE_BOND_COUNT> 7 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 2.92e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (5R,6Z,8Z,10Z,13R,14R,15S,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-23-(methylsulfanyl)-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl (2S)-2-(cyclohexylformamido)propanoate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0007344 (Trierixin)RDKit 3D 100102 0 0 0 0 0 0 0 0999 V2000 -5.7491 3.3055 -4.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5313 3.3455 -2.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3201 2.0627 -2.3519 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0017 2.1297 -1.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 1.1113 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7598 0.4828 -2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 1.0593 -3.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 1.7569 -3.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 1.3270 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.1200 -2.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 -0.5811 -1.4984 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1199 0.4878 -1.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 0.2873 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9756 -0.8118 -1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 1.4605 -0.7623 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0471 2.5132 -1.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 1.1121 -0.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 1.3482 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 1.8779 1.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9349 1.0130 0.5438 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4568 1.3977 1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 0.4534 2.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6771 -0.8626 2.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1476 -1.0210 1.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0839 -0.5076 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 -0.9661 -0.2554 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1498 -0.4942 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -2.4363 -0.2196 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1083 -2.7307 -0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -3.1448 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8962 -3.3424 1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 -3.6461 1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -3.3672 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 -1.9608 2.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -1.5427 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 -1.1988 3.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4711 -0.6974 3.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -0.3804 4.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -0.5332 2.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9085 0.0741 2.5364 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7895 1.8834 2.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 -0.8497 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -1.3788 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 -1.7208 -0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7871 -0.4501 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7588 0.3638 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 -0.1532 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 1.7780 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6552 2.6858 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 4.3497 -4.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8795 3.0303 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 1.2995 -3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 3.0290 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 0.6983 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0283 -0.5757 -3.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 0.9741 -4.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 2.7055 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 1.9889 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 -0.5440 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -0.5178 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -1.4979 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 1.8717 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 3.2768 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 2.9307 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 1.9639 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 0.6719 -1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 1.5080 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5592 1.3058 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2258 2.4626 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 0.2742 2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1239 0.8896 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 -1.6854 3.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4868 -0.9054 3.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1054 -0.5433 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2652 -2.1075 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 -0.7763 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -0.9478 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -0.4355 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 0.4956 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -1.1754 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 -0.4506 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 -2.8542 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0925 -2.8600 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 -3.1553 2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -2.8135 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -4.4434 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 -4.3432 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -4.0158 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -3.6257 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 -1.9643 3.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -1.1802 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -1.3319 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -0.0137 4.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6651 2.3726 2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6325 2.1799 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8777 2.2228 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 -1.9398 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7907 -0.8102 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 2.1772 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2241 2.4163 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 11 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 1 0 39 42 1 0 42 43 2 0 43 44 1 0 42 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 3 1 0 25 20 1 0 43 35 1 0 1 49 1 0 1 50 1 0 1 51 1 0 3 52 1 6 4 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 10 60 1 0 11 61 1 6 15 62 1 1 16 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 20 67 1 6 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 26 78 1 6 27 79 1 0 27 80 1 0 27 81 1 0 28 82 1 6 29 83 1 0 31 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 36 92 1 0 38 93 1 0 41 94 1 0 41 95 1 0 41 96 1 0 44 97 1 0 45 98 1 0 48 99 1 0 48100 1 0 M END PDB for NP0007344 (Trierixin)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -5.749 3.305 -4.266 0.00 0.00 C+0 HETATM 2 O UNK 0 -5.531 3.345 -2.900 0.00 0.00 O+0 HETATM 3 C UNK 0 -5.320 2.063 -2.352 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.002 2.130 -1.676 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.184 1.111 -1.692 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.760 0.483 -2.916 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.017 1.059 -3.854 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.777 1.757 -3.534 0.00 0.00 C+0 HETATM 9 C UNK 0 0.146 1.327 -2.700 0.00 0.00 C+0 HETATM 10 C UNK 0 0.285 -0.120 -2.515 0.00 0.00 C+0 HETATM 11 C UNK 0 1.259 -0.581 -1.498 0.00 0.00 C+0 HETATM 12 O UNK 0 2.120 0.488 -1.147 0.00 0.00 O+0 HETATM 13 C UNK 0 3.489 0.287 -1.141 0.00 0.00 C+0 HETATM 14 O UNK 0 3.976 -0.812 -1.435 0.00 0.00 O+0 HETATM 15 C UNK 0 4.340 1.460 -0.762 0.00 0.00 C+0 HETATM 16 C UNK 0 4.047 2.513 -1.833 0.00 0.00 C+0 HETATM 17 N UNK 0 5.724 1.112 -0.733 0.00 0.00 N+0 HETATM 18 C UNK 0 6.499 1.348 0.428 0.00 0.00 C+0 HETATM 19 O UNK 0 5.920 1.878 1.423 0.00 0.00 O+0 HETATM 20 C UNK 0 7.935 1.013 0.544 0.00 0.00 C+0 HETATM 21 C UNK 0 8.457 1.398 1.910 0.00 0.00 C+0 HETATM 22 C UNK 0 7.927 0.453 2.954 0.00 0.00 C+0 HETATM 23 C UNK 0 8.677 -0.863 2.817 0.00 0.00 C+0 HETATM 24 C UNK 0 9.148 -1.021 1.389 0.00 0.00 C+0 HETATM 25 C UNK 0 8.084 -0.508 0.434 0.00 0.00 C+0 HETATM 26 C UNK 0 0.437 -0.966 -0.255 0.00 0.00 C+0 HETATM 27 C UNK 0 1.150 -0.494 0.991 0.00 0.00 C+0 HETATM 28 C UNK 0 0.085 -2.436 -0.220 0.00 0.00 C+0 HETATM 29 O UNK 0 -1.108 -2.731 -0.817 0.00 0.00 O+0 HETATM 30 C UNK 0 0.429 -3.145 1.004 0.00 0.00 C+0 HETATM 31 C UNK 0 1.896 -3.342 1.388 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.479 -3.646 1.801 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.888 -3.367 1.717 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.266 -1.961 2.091 0.00 0.00 C+0 HETATM 35 C UNK 0 -3.693 -1.543 1.879 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.224 -1.199 3.149 0.00 0.00 C+0 HETATM 37 C UNK 0 -5.471 -0.697 3.350 0.00 0.00 C+0 HETATM 38 O UNK 0 -5.939 -0.380 4.619 0.00 0.00 O+0 HETATM 39 C UNK 0 -6.215 -0.533 2.223 0.00 0.00 C+0 HETATM 40 S UNK 0 -7.909 0.074 2.536 0.00 0.00 S+0 HETATM 41 C UNK 0 -7.790 1.883 2.501 0.00 0.00 C+0 HETATM 42 C UNK 0 -5.758 -0.850 0.923 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.459 -1.379 0.726 0.00 0.00 C+0 HETATM 44 O UNK 0 -3.995 -1.721 -0.548 0.00 0.00 O+0 HETATM 45 N UNK 0 -6.787 -0.450 0.003 0.00 0.00 N+0 HETATM 46 C UNK 0 -6.759 0.364 -1.176 0.00 0.00 C+0 HETATM 47 O UNK 0 -7.130 -0.153 -2.257 0.00 0.00 O+0 HETATM 48 C UNK 0 -6.332 1.778 -1.261 0.00 0.00 C+0 HETATM 49 H UNK 0 -6.655 2.686 -4.530 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.033 4.350 -4.558 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.880 3.030 -4.864 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.374 1.300 -3.147 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.728 3.029 -1.154 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.806 0.698 -0.709 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.028 -0.576 -3.111 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.403 0.974 -4.875 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.599 2.705 -4.021 0.00 0.00 H+0 HETATM 58 H UNK 0 0.798 1.989 -2.153 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.696 -0.544 -2.272 0.00 0.00 H+0 HETATM 60 H UNK 0 0.686 -0.518 -3.490 0.00 0.00 H+0 HETATM 61 H UNK 0 1.827 -1.498 -1.780 0.00 0.00 H+0 HETATM 62 H UNK 0 4.034 1.872 0.213 0.00 0.00 H+0 HETATM 63 H UNK 0 4.834 3.277 -1.881 0.00 0.00 H+0 HETATM 64 H UNK 0 3.046 2.931 -1.604 0.00 0.00 H+0 HETATM 65 H UNK 0 3.932 1.964 -2.802 0.00 0.00 H+0 HETATM 66 H UNK 0 6.178 0.672 -1.588 0.00 0.00 H+0 HETATM 67 H UNK 0 8.523 1.508 -0.227 0.00 0.00 H+0 HETATM 68 H UNK 0 9.559 1.306 1.893 0.00 0.00 H+0 HETATM 69 H UNK 0 8.226 2.463 2.126 0.00 0.00 H+0 HETATM 70 H UNK 0 6.832 0.274 2.850 0.00 0.00 H+0 HETATM 71 H UNK 0 8.124 0.890 3.947 0.00 0.00 H+0 HETATM 72 H UNK 0 7.959 -1.685 3.030 0.00 0.00 H+0 HETATM 73 H UNK 0 9.487 -0.905 3.554 0.00 0.00 H+0 HETATM 74 H UNK 0 10.105 -0.543 1.191 0.00 0.00 H+0 HETATM 75 H UNK 0 9.265 -2.107 1.135 0.00 0.00 H+0 HETATM 76 H UNK 0 8.349 -0.776 -0.600 0.00 0.00 H+0 HETATM 77 H UNK 0 7.103 -0.948 0.713 0.00 0.00 H+0 HETATM 78 H UNK 0 -0.552 -0.436 -0.276 0.00 0.00 H+0 HETATM 79 H UNK 0 0.732 0.496 1.280 0.00 0.00 H+0 HETATM 80 H UNK 0 0.872 -1.175 1.817 0.00 0.00 H+0 HETATM 81 H UNK 0 2.250 -0.451 0.856 0.00 0.00 H+0 HETATM 82 H UNK 0 0.840 -2.854 -0.991 0.00 0.00 H+0 HETATM 83 H UNK 0 -1.093 -2.860 -1.792 0.00 0.00 H+0 HETATM 84 H UNK 0 2.072 -3.155 2.442 0.00 0.00 H+0 HETATM 85 H UNK 0 2.506 -2.813 0.663 0.00 0.00 H+0 HETATM 86 H UNK 0 2.056 -4.443 1.203 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.142 -4.343 2.611 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.442 -4.016 2.484 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.412 -3.626 0.791 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.991 -1.964 3.217 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.510 -1.180 1.796 0.00 0.00 H+0 HETATM 92 H UNK 0 -3.622 -1.332 4.075 0.00 0.00 H+0 HETATM 93 H UNK 0 -6.870 -0.014 4.700 0.00 0.00 H+0 HETATM 94 H UNK 0 -8.665 2.373 2.925 0.00 0.00 H+0 HETATM 95 H UNK 0 -7.633 2.180 1.442 0.00 0.00 H+0 HETATM 96 H UNK 0 -6.878 2.223 3.046 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.684 -1.940 -1.320 0.00 0.00 H+0 HETATM 98 H UNK 0 -7.791 -0.810 0.258 0.00 0.00 H+0 HETATM 99 H UNK 0 -5.976 2.177 -0.288 0.00 0.00 H+0 HETATM 100 H UNK 0 -7.224 2.416 -1.538 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 CONECT 3 2 4 48 52 CONECT 4 3 5 53 CONECT 5 4 6 54 CONECT 6 5 7 55 CONECT 7 6 8 56 CONECT 8 7 9 57 CONECT 9 8 10 58 CONECT 10 9 11 59 60 CONECT 11 10 12 26 61 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 17 62 CONECT 16 15 63 64 65 CONECT 17 15 18 66 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 25 67 CONECT 21 20 22 68 69 CONECT 22 21 23 70 71 CONECT 23 22 24 72 73 CONECT 24 23 25 74 75 CONECT 25 24 20 76 77 CONECT 26 11 27 28 78 CONECT 27 26 79 80 81 CONECT 28 26 29 30 82 CONECT 29 28 83 CONECT 30 28 31 32 CONECT 31 30 84 85 86 CONECT 32 30 33 87 CONECT 33 32 34 88 89 CONECT 34 33 35 90 91 CONECT 35 34 36 43 CONECT 36 35 37 92 CONECT 37 36 38 39 CONECT 38 37 93 CONECT 39 37 40 42 CONECT 40 39 41 CONECT 41 40 94 95 96 CONECT 42 39 43 45 CONECT 43 42 44 35 CONECT 44 43 97 CONECT 45 42 46 98 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 3 99 100 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 3 CONECT 53 4 CONECT 54 5 CONECT 55 6 CONECT 56 7 CONECT 57 8 CONECT 58 9 CONECT 59 10 CONECT 60 10 CONECT 61 11 CONECT 62 15 CONECT 63 16 CONECT 64 16 CONECT 65 16 CONECT 66 17 CONECT 67 20 CONECT 68 21 CONECT 69 21 CONECT 70 22 CONECT 71 22 CONECT 72 23 CONECT 73 23 CONECT 74 24 CONECT 75 24 CONECT 76 25 CONECT 77 25 CONECT 78 26 CONECT 79 27 CONECT 80 27 CONECT 81 27 CONECT 82 28 CONECT 83 29 CONECT 84 31 CONECT 85 31 CONECT 86 31 CONECT 87 32 CONECT 88 33 CONECT 89 33 CONECT 90 34 CONECT 91 34 CONECT 92 36 CONECT 93 38 CONECT 94 41 CONECT 95 41 CONECT 96 41 CONECT 97 44 CONECT 98 45 CONECT 99 48 CONECT 100 48 MASTER 0 0 0 0 0 0 0 0 100 0 204 0 END SMILES for NP0007344 (Trierixin)[H]OC1=C(SC([H])([H])[H])C2=C(O[H])C(=C1[H])C([H])([H])C([H])([H])\C([H])=C(C([H])([H])[H])/[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@]([H])(OC([H])([H])[H])C([H])([H])C(=O)N2[H] INCHI for NP0007344 (Trierixin)InChI=1S/C37H52N2O8S/c1-23-15-14-18-27-21-29(40)35(48-5)32(34(27)43)39-31(41)22-28(46-4)19-12-7-6-8-13-20-30(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,19,21,24-26,28,30,33,40,42-43H,9-11,14,16-18,20,22H2,1-5H3,(H,38,44)(H,39,41)/b7-6-,13-8-,19-12-,23-15-/t24-,25-,28-,30+,33+/m0/s1 3D Structure for NP0007344 (Trierixin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C37H52N2O8S | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 684.8900 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 684.34444 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (5R,6Z,8Z,10Z,13R,14R,15S,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-23-(methylsulfanyl)-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl (2S)-2-(cyclohexylformamido)propanoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (5R,6Z,8Z,10Z,13R,14R,15S,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-23-(methylsulfanyl)-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl (2S)-2-(cyclohexylformamido)propanoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | COC1CC(=O)NC2=C(O)C(CC\C=C(C)/C(O)C(C)C(C\C=C/C=C\C=C/1)OC(=O)C(C)NC(=O)C1CCCCC1)=CC(O)=C2SC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C37H52N2O8S/c1-23-15-14-18-27-21-29(40)35(48-5)32(34(27)43)39-31(41)22-28(46-4)19-12-7-6-8-13-20-30(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,19,21,24-26,28,30,33,40,42-43H,9-11,14,16-18,20,22H2,1-5H3,(H,38,44)(H,39,41)/b7-6-,13-8-,19-12-,23-15- | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | JYAJEGBJMODZBK-SOVAFGQYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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